|
Zirsinalite |
 |
Pudovkina Z V, Chernitsova N M, Voronkov A A, Pyatenko Yu A |
| |
Doklady Akademii Nauk SSSR 250 (1980) 865-867 |
|
Crystal structure of zirsinalite Na6Ca{Zr(Si6O18)} |
|
Locality: Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012464 |
|
10.593 10.593 10.593 58.13 58.13 58.13 R-3c |
|
atom x y z occ Biso |
|
Na1 .5 0 0 1.22 |
|
Na2 .743 .757 .25 1.15 |
|
Ca .3767 .3767 .3767 .5 1.16 |
|
Zr 0 0 0 .93 |
|
Si .1307 .1346 .5853 .93 |
|
O1 .255 .296 .938 1.31 |
|
O2 .950 .234 .968 1.33 |
|
O3 .013 .487 .25 3.31 |
|
O4 .518 .982 .25 1.24 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Imandrite |
|
Chernitsova N M, Pudovkina Z V, Voronkov A A, Ilyukhin V V, Pyatenko Y A |
| |
Doklady Akademii Nauk SSSR 252 (1980) 618-621 |
|
Imandrite Na12Ca3Fe2[Si6O18]2 - a representative of |
|
a new branch in the lovozerite structural family |
|
_database_code_amcsd 0012468 |
|
10.331 10.546 7.426 90 90 90 Pmnn |
|
atom x y z occ Biso |
|
Na1 0 0 .5 .19 |
|
Na2 .2407 .2334 .0207 1.61 |
|
Na3 .5 0 0 3.97 |
|
Ca .5 .2549 .7563 .75 .96 |
|
Fe 0 0 0 .99 |
|
Si1 .2723 .9920 .7152 .69 |
|
Si2 .5 .2184 .2564 .77 |
|
O1 0 .199 .935 2.04 |
|
O2 .128 .376 .755 2.38 |
|
O3 .5 .290 .073 1.50 |
|
O4 .364 .444 .697 1.68 |
|
O5 .329 .121 .787 1.94 |
|
O6 .240 0 .5 2.89 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Terskite |
|
Pudovkina Z V, Chernitsova N M |
| |
Doklady Akademii Nauk SSSR 316 (1991) 645-649 |
|
Crystal structure of terskite Na4Zr[H4Si6O18] |
|
_database_code_amcsd 0012483 |
|
14.195 14.750 7.511 90 90 90 Pnc2 |
|
atom x y z Biso |
|
Na1 .7554 .9976 .525 .82 |
|
Na2 .2167 .2369 .970 1.90 |
|
Na3 0 0 .905 .99 |
|
Na4 .5 0 .056 1.39 |
|
Na5 .7066 .2273 .016 1.40 |
|
Zr .2537 .9974 .0002 1.08 |
|
Si1 .5853 .1310 .7553 .86 |
|
Si2 .3881 .1387 .3001 .76 |
|
Si3 .3668 .1538 .7140 .64 |
|
Si4 .8672 .1533 .2865 .71 |
|
Si5 .8901 .1382 .6984 .62 |
|
Si6 .0835 .1316 .2456 .81 |
|
O1 .499 .129 .298 1.31 |
|
O2 .470 .123 .789 1.42 |
|
O3 .853 .132 .492 1.23 |
|
O4 .350 .129 .503 .91 |
|
O5 .349 .237 .242 .71 |
|
O6 .854 .237 .785 1.19 |
|
O7 .115 .262 .719 .93 |
|
O8 .286 .106 .822 1.13 |
|
O9 .335 .060 .191 .96 |
|
O10 .785 .101 .170 .70 |
|
O11 .835 .057 .805 .99 |
|
O12 .971 .124 .221 1.08 |
|
O13 .003 .132 .720 1.02 |
|
O14 .614 .237 .742 .90 |
|
O15 .636 .075 .911 1.15 |
|
O16 .612 .088 .550 1.37 |
|
O17 .134 .080 .084 1.17 |
|
O18 .117 .092 .427 1.55 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Prosopite |
|
Pudovkina Z V, Chernitsova N M, Pyatenko Y A |
| |
Journal of Structural Chemistry 14 (1973) 345-347 |
|
Refinement of the crystalline structure of prosopite, CaAl2F4(OH)4 |
|
_database_code_amcsd 0014057 |
|
6.76 11.12 7.32 90 95.0 90 C2/c |
|
atom x y z Biso |
|
Ca 0 .4606 .25 .67 |
|
Al1 .25 .25 0 .57 |
|
Al2 0 .1407 .25 .55 |
|
F1 .0761 .3810 .9625 .88 |
|
F2 .1818 .0244 .2819 .94 |
|
OH1 .1998 .2632 .2439 .59 |
|
OH2 .0231 .1534 .9971 .64 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tikhonenkovite |
|
Pudovkina Z V, Chernitsova N M, Pyatenko Yu A |
| |
Journal of Structural Chemistry 14 (1973) 445-448 |
|
Crystal structure refinement of tikhonenkovite Sr2[Al2F8(OH)2]*2H2O |
|
_database_code_amcsd 0014058 |
|
5.02 10.62 8.73 90 102.7 90 P2_1/c |
|
atom x y z Biso |
|
Sr .1264 .3173 .5587 1.5 |
|
Al .847 .022 .339 1.4 |
|
F1 .528 .100 .259 2.1 |
|
F2 .024 .172 .326 2.4 |
|
F3 .655 -.120 .347 2.3 |
|
F4 .907 -.018 .149 2.6 |
|
OH .163 -.062 .451 1.1 |
|
Wat .578 .305 .444 1.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tadzhikite-(Ce) |
| |
Chernitsova N M, Pudovkina Z V, Pyatenko Y A |
| |
Soviet Physics Doklady 27 (1982) 367-368 |
|
About the crystal structure of tadzhikite {(Ca,Tr)4(Y,Tr)2(Ti,Fe,Al)(O,OH)2 |
|
[Si4B4O22]} |
|
_database_code_amcsd 0015611 |
|
18.946 4.714 10.302 90 111.58 90 P2/a |
|
atom x y z occ Biso |
|
Ca1 .2518 0 .3399 .99 |
|
Ca2 .3450 .9616 .0708 .99 |
|
Ce .0421 .0194 .3595 1.02 |
|
Ti 0 0 0 .40 1.14 |
|
Fe 0 0 0 .34 1.14 |
|
Al 0 0 0 .26 1.14 |
|
B1 .171 .523 .448 .32 |
|
B2 .244 .460 .861 1.12 |
|
Si1 .1015 .488 .647 .84 |
|
Si2 .3871 .496 .837 .84 |
|
O1 .460 .244 .439 1.10 |
|
O2 .323 .319 .243 .90 |
|
O3 .070 .706 .730 1.30 |
|
O4 .131 .667 .538 1.00 |
|
O5 .462 .192 .132 1.00 |
|
O6 .255 .759 .140 1.20 |
|
O7 .166 .229 .447 .50 |
|
O8 .132 .676 .310 1.00 |
|
O9 .312 .330 .838 1.40 |
|
O10 .086 .733 .042 1.00 |
|
O11 .055 .255 .159 1.60 |
|
O12 .25 .331 0 .30 |
|
O13 .25 .652 .5 .70 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
